SCHEMBL12932297

SCHEMBL12932297

Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC1N

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.70
▸ P2RX1 P51575 4/20 0.70
▸ P2RX2 Q9UBL9 3/20 0.70
▸ P2RX4 Q99571 6/20 0.65
▸ P2RY1 P47900 5/20 0.65
▸ P2RY2 P41231 2/20 0.65
▸ SRC P12931 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RNASEL Q05823 1/20 0.62
▸ MACROD2 A1Z1Q3 1/20 0.61
▸ SIRT6 Q8N6T7 1/20 0.61
▸ MACROD1 Q9BQ69 1/20 0.61
▸ TRPM2 O94759 1/20 0.61
▸ P2RX7 Q99572 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1057430 1.00 P2RX3 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL16024812 0.92 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL23584298 0.92 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL16203364 0.92 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL250251 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL19493160 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL23982340 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL12932304 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL3163036 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL29476738 0.91 P2RX1 (0.70) P2RX3P2RX1P2RX2P2RX4P2RY1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 — — US disclosed
US-20170275672-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TRILINK BIOTECHNOLOGIES, INC. (US) 2017-09-28 — — US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 — — US disclosed
US-9631227-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES, INC. (US) 2017-04-25 — — US disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 — — US disclosed
US-8728725-B2 Chemically modified ligase cofactors, donors and acceptors TRILINK BIOTECHNOLOGIES (US) 2014-05-20 — — US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 — — US disclosed
US-20110008788-A1 CHEMICALLY MODIFIED LIGASE COFACTORS, DONORS AND ACCEPTORS TriLink Bio Technologies 2011-01-13 — — US disclosed
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